(3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione

C17H26O4 — CID 10379704

IUPAC(3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione
SMILESC=C1C(=O)O[C@H]2C(=O)O[C@H](CCCCCCCCCC)[C@@H]12
InChIInChI=1S/C17H26O4/c1-3-4-5-6-7-8-9-10-11-13-14-12(2)16(18)21-15(14)17(19)20-13/h13-15H,2-11H2,1H3/t13-,14-,15-/m1/s1
InChIKeyCKRYWVQIHADFLK-RBSFLKMASA-N
MW294.39 g/mol
LogP3.54
Rot. Bonds9

About (3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione

(3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione (PubChem CID 10379704) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione.

Molecular Properties

Compound Name(3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione
PubChem CID10379704
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione
SMILESC=C1C(=O)O[C@H]2C(=O)O[C@H](CCCCCCCCCC)[C@@H]12
InChIInChI=1S/C17H26O4/c1-3-4-5-6-7-8-9-10-11-13-14-12(2)16(18)21-15(14)17(19)20-13/h13-15H,2-11H2,1H3/t13-,14-,15-/m1/s1
InChIKeyCKRYWVQIHADFLK-RBSFLKMASA-N
XLogP3.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione?
The IUPAC name of (3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione (CID 10379704) is (3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione.
What is the SMILES notation for (3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione?
The canonical SMILES for (3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione is C=C1C(=O)O[C@H]2C(=O)O[C@H](CCCCCCCCCC)[C@@H]12.
What is the InChIKey of (3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione?
The InChIKey is CKRYWVQIHADFLK-RBSFLKMASA-N. The full InChI is InChI=1S/C17H26O4/c1-3-4-5-6-7-8-9-10-11-13-14-12(2)16(18)21-15(14)17(19)20-13/h13-15H,2-11H2,1H3/t13-,14-,15-/m1/s1.
What are the key properties of (3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione?
(3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione has a molecular weight of 294.39 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aR)-4-decyl-3-methylidene-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione is sourced from PubChem (CID 10379704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).